N-[4-(2-bromoacetyl)phenyl]-4-fluorobenzenesulfonamide

C14H11BrFNO3S — CID 4737379

IUPACN-[4-(2-bromoacetyl)phenyl]-4-fluorobenzenesulfonamide
SMILESO=C(CBr)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H11BrFNO3S/c15-9-14(18)10-1-5-12(6-2-10)17-21(19,20)13-7-3-11(16)4-8-13/h1-8,17H,9H2
InChIKeyRMNBFYPUOKGJSC-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.20
Rot. Bonds5

About N-[4-(2-bromoacetyl)phenyl]-4-fluorobenzenesulfonamide

N-[4-(2-bromoacetyl)phenyl]-4-fluorobenzenesulfonamide (PubChem CID 4737379) has the molecular formula C14H11BrFNO3S and a molecular weight of 372.22 g/mol. Its IUPAC name is N-[4-(2-bromoacetyl)phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-bromoacetyl)phenyl]-4-fluorobenzenesulfonamide
PubChem CID4737379
Molecular FormulaC14H11BrFNO3S
Molecular Weight372.22 g/mol
Exact Mass370.96
IUPAC NameN-[4-(2-bromoacetyl)phenyl]-4-fluorobenzenesulfonamide
SMILESO=C(CBr)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H11BrFNO3S/c15-9-14(18)10-1-5-12(6-2-10)17-21(19,20)13-7-3-11(16)4-8-13/h1-8,17H,9H2
InChIKeyRMNBFYPUOKGJSC-UHFFFAOYSA-N
XLogP3.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-butanoylphenyl)-4-fluorobenzenesulfonamide
CID 5016299
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide
CID 18629013
4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
CID 1375859
1-[4-(2-bromoacetyl)phenyl]-3-(4-fluorophenyl)urea
CID 145361635
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
CID 21205051
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
4-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbenzamide
CID 29373604
4-[(4-fluorophenyl)sulfamoyl]-N,N-dipropylbenzamide
CID 29373554

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromoacetyl)phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(2-bromoacetyl)phenyl]-4-fluorobenzenesulfonamide (CID 4737379) is N-[4-(2-bromoacetyl)phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(2-bromoacetyl)phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(2-bromoacetyl)phenyl]-4-fluorobenzenesulfonamide is O=C(CBr)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-(2-bromoacetyl)phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is RMNBFYPUOKGJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO3S/c15-9-14(18)10-1-5-12(6-2-10)17-21(19,20)13-7-3-11(16)4-8-13/h1-8,17H,9H2.
What are the key properties of N-[4-(2-bromoacetyl)phenyl]-4-fluorobenzenesulfonamide?
N-[4-(2-bromoacetyl)phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 372.22 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromoacetyl)phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 4737379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).